SCHEMBL6885437

SCHEMBL6885437

CCCC(C(C(=O)O)C(=O)O)N1C(=O)C(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)SC1=S

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
PTPN1 P18031 8/20 0.49
BCL2L2 Q92843 5/20 0.49
BAD Q92934 5/20 0.49
BCL2 P10415 5/20 0.49
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.46
MMP3 P08254 1/20 0.45
AKR1B1 P15121 1/20 0.45
MMP13 P45452 1/20 0.45
MCL1 Q07820 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6885434 1.00 HPGD (0.54) HPGDPTPN1BCL2L2BADBCL2
SCHEMBL6885210 0.85 PTPN1 (0.61) PTPN1BCL2L2BADBCL2MAPT
SCHEMBL6887688 0.81 MEN1 (0.57) PTPN1BCL2L2BADBCL2MAPT
SCHEMBL6886024 0.80 AKR1B1 (0.70) HPGDPTPN1MEN1KMT2AADAMTS5
SCHEMBL6886020 0.80 AKR1B1 (0.70) HPGDPTPN1MEN1KMT2AADAMTS5
SCHEMBL6886503 0.79 PTPN1 (0.57) HPGDPTPN1BCL2L2BCL2MAPT
SCHEMBL6886589 0.77 PTPN1 (0.56) PTPN1BCL2L2BADBCL2MAPT
SCHEMBL6888396 0.77 MAPT (0.56) HPGDPTPN1BCL2L2BADBCL2
SCHEMBL18103049 0.75 MAPK1 (0.58) HPGDPTPN1BCL2L2BCL2MAPT
SCHEMBL6884976 0.75 MEN1 (0.46) HPGDPTPN1MAPTMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 US disclosed
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders ANGELIKA ESSWEIN, WOLFGANG SCHAEFER, AND KONRAD HONOLD 2003-02-13 US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030032813-A1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders NR1H4, NR1D1, NR1I2 HPGD 1203/4885PTPN1 2479/4885BCL2L2 2423/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.